General Information of the Compound
| Compound ID |
CP0147561
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| Compound Name |
5-(Dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-naphthalenesulfonamide
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| Structure |
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| Formula |
C27H36N4O3S
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| Molecular Weight |
496.677
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
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| InChI |
InChI=1S/C27H36N4O3S/c1-29(2)24-13-8-11-23-22(24)10-9-15-27(23)35(32,33)28-16-6-7-17-30-18-20-31(21-19-30)25-12-4-5-14-26(25)34-3/h4-5,8-15,28H,6-7,16-21H2,1-3H3
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| InChIKey |
GZQHTWYWDSMEAW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01065, Serine/threonine-protein kinase mTOR